기본 정보
- CAS
64670-44-6- 표준 SMILES
CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c([nH][nH]c2=O)C[C@]1(C)O- InChIKey
JWMBRHXWZASKPP-QOKNQOGYSA-N- 분자식
- C19H24N2O6
- 평균 분자량
- 376.4 g/mol
- 단동위원소 질량
- 376.16343649
이름 및 식별자
- 우선 이름
- Ethyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
- IUPAC
- ethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate
- 영어명
- ethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-6-hydroxy-6-methyl-3-oxo-2,4, 5,7-tetrahydro-1H-indazole-5-carboxylate
- 분자식
- C19H24N2O6
- 분자량
- 376.4
이름 및 동의어
64670-44-6DTXSID60983289Ethyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylateRefChem:1084905DTXCID9014105322H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-4-(3,4-dimethoxyphenyl)-6-methyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-Ethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylateethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-6-hydroxy-6-methyl-3-oxo-2,4, 5,7-tetrahydro-1H-indazole-5-carboxylate2H-Indazole-5-carboxylic acid, 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-3,6-dihydroxy-6-methyl-, ethyl ester, (4α,5β,6α)- (9CI)
데이터베이스 식별자
- CAS
64670-44-6- PubChem CID
- 3049331
- DTXSID
DTXSID60983289
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 636
물리화학적 성질
- 끓는 점
- 529.964 · 529.964±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.307 · 1.307±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 7.633 · 7.633±0.70(predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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